2-(3-tert-butylphenyl)butan-2-ol

C14H22O — CID 91655645

IUPAC2-(3-tert-butylphenyl)butan-2-ol
SMILESCCC(C)(O)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H22O/c1-6-14(5,15)12-9-7-8-11(10-12)13(2,3)4/h7-10,15H,6H2,1-5H3
InChIKeyMVOMFSUIYGSZLX-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.60
Rot. Bonds2

About 2-(3-tert-butylphenyl)butan-2-ol

2-(3-tert-butylphenyl)butan-2-ol (PubChem CID 91655645) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)butan-2-ol.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)butan-2-ol
PubChem CID91655645
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(3-tert-butylphenyl)butan-2-ol
SMILESCCC(C)(O)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H22O/c1-6-14(5,15)12-9-7-8-11(10-12)13(2,3)4/h7-10,15H,6H2,1-5H3
InChIKeyMVOMFSUIYGSZLX-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol
CID 68519001
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
alumane;1,3-ditert-butylbenzene
CID 174392215
2-[3-(2-hydroxybutan-2-yl)-5-(2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 59095277
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 59095341
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)butan-2-ol?
The IUPAC name of 2-(3-tert-butylphenyl)butan-2-ol (CID 91655645) is 2-(3-tert-butylphenyl)butan-2-ol.
What is the SMILES notation for 2-(3-tert-butylphenyl)butan-2-ol?
The canonical SMILES for 2-(3-tert-butylphenyl)butan-2-ol is CCC(C)(O)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)butan-2-ol?
The InChIKey is MVOMFSUIYGSZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-14(5,15)12-9-7-8-11(10-12)13(2,3)4/h7-10,15H,6H2,1-5H3.
What are the key properties of 2-(3-tert-butylphenyl)butan-2-ol?
2-(3-tert-butylphenyl)butan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)butan-2-ol is sourced from PubChem (CID 91655645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).